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{
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{
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"structure_string": "Cu2 Hg1 Ge1 Se4\n1.0\n5.325921 0.000000 -2.451160\n-1.128103 5.205077 -2.451160\n-0.026132 -0.032402 6.954925\nCu Hg Ge Se\n2 1 1 4\ndirect\n0.250001 0.750001 0.500001 Cu\n0.750000 0.250000 0.500001 Cu\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 Ge\n0.407272 0.407272 0.274920 Se\n0.592728 0.132353 0.725081 Se\n0.132353 0.592729 0.725082 Se\n0.867648 0.867648 0.274920 Se\n",
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{
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"structure_string": "Cu2 Hg1 Ge1 S4\n1.0\n5.049311 0.000000 -2.331287\n-1.076365 4.933253 -2.331287\n-0.017232 -0.021397 6.596449\nCu Hg Ge S\n2 1 1 4\ndirect\n0.750000 0.250000 0.500000 Cu\n0.250001 0.749999 0.500000 Cu\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 -0.000000 Ge\n0.861657 0.861655 0.271654 S\n0.590001 0.138344 0.728345 S\n0.409999 0.409998 0.271654 S\n0.138345 0.590000 0.728345 S\n",
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{
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"created_at": "2022-09-04T14:37:12.177180Z",
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"structure_string": "Cu2 H8 I4 O16\n1.0\n6.644135 0.000000 -0.037423\n0.000000 4.763873 0.000000\n-2.602910 0.000000 11.002504\nCu H I O\n2 8 4 16\ndirect\n-0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.181526 0.587029 0.923274 H\n0.181526 0.912970 0.423275 H\n0.344970 0.761469 0.537827 H\n0.655031 0.261469 0.962173 H\n0.344970 0.738531 0.037827 H\n0.655031 0.238531 0.462173 H\n0.818473 0.087029 0.576725 H\n0.818473 0.412970 0.076726 H\n0.738630 0.870919 0.234178 I\n0.738630 0.629080 0.734177 I\n0.261370 0.129080 0.765822 I\n0.261370 0.370919 0.265822 I\n0.485620 0.155813 0.340507 O\n0.928877 0.819982 0.666794 O\n0.785012 0.710520 0.386899 O\n0.772694 0.273331 0.536487 O\n0.514380 0.655813 0.159493 O\n0.785012 0.789480 0.886899 O\n0.514380 0.844186 0.659493 O\n0.071122 0.319983 0.833206 O\n0.485620 0.344186 0.840507 O\n0.227305 0.726668 0.463512 O\n0.214987 0.289480 0.613101 O\n0.071122 0.180017 0.333206 O\n0.227305 0.773331 0.963512 O\n0.772694 0.226668 0.036488 O\n0.214987 0.210520 0.113101 O\n0.928877 0.680017 0.166794 O\n",
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{
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"structure_string": "Cu2 H8 Cl4 O4\n1.0\n3.777320 0.000000 0.000000\n-0.000000 7.341678 0.000000\n0.000000 0.000000 7.978850\nCu H Cl O\n2 8 4 4\ndirect\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.136984 0.085689 0.314076 H\n0.863016 0.914312 0.685924 H\n0.136984 0.414311 0.185924 H\n0.863016 0.585689 0.814076 H\n0.863016 0.914312 0.314076 H\n0.136984 0.414311 0.814076 H\n0.136984 0.085689 0.685924 H\n0.863016 0.585689 0.185924 H\n0.619941 0.747421 0.500000 Cl\n0.380059 0.247421 0.000000 Cl\n0.380059 0.252580 0.500000 Cl\n0.619941 0.752580 0.000000 Cl\n0.000000 0.500000 0.743001 O\n0.000000 0.000000 0.756999 O\n0.000000 0.500000 0.256999 O\n0.000000 0.000000 0.243001 O\n",
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{
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"structure_string": "Cu2 H4 Se2 O10\n1.0\n5.129923 0.014427 0.015321\n-0.837848 5.538495 -0.098290\n-2.147598 -1.976973 6.905998\nCu H Se O\n2 4 2 10\ndirect\n0.000000 0.000000 0.000000 Cu\n0.499999 0.500000 0.500000 Cu\n0.912184 0.478940 0.768864 H\n0.087814 0.521060 0.231136 H\n0.032484 0.675314 0.665343 H\n0.967515 0.324686 0.334657 H\n0.568694 0.868568 0.229000 Se\n0.431304 0.131433 0.771000 Se\n0.329345 0.346011 0.659885 O\n0.670654 0.653989 0.340116 O\n0.297468 0.840948 0.621140 O\n0.702531 0.159052 0.378860 O\n0.667735 0.815820 0.029900 O\n0.213611 0.802332 0.152893 O\n0.332264 0.184180 0.970100 O\n0.125843 0.381564 0.288581 O\n0.786387 0.197669 0.847107 O\n0.874155 0.618436 0.711419 O\n",
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{
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"structure_string": "Cu2 H4 S2 O10\n1.0\n5.026271 0.102636 0.021590\n0.067554 5.224414 -0.047086\n-2.424991 -2.662924 6.829475\nCu H S O\n2 4 2 10\ndirect\n0.499999 0.500000 0.499999 Cu\n0.000000 0.000000 0.000000 Cu\n0.809274 0.418556 0.790190 H\n0.190725 0.581444 0.209809 H\n0.010143 0.450860 0.675779 H\n0.989856 0.549140 0.324220 H\n0.386338 0.080907 0.761854 S\n0.613660 0.919093 0.238144 S\n0.271681 0.210790 0.617333 O\n0.728318 0.789211 0.382666 O\n0.334484 0.776543 0.675014 O\n0.665515 0.223457 0.324985 O\n0.737712 0.819540 0.077634 O\n0.300315 0.836870 0.151743 O\n0.262286 0.180460 0.922364 O\n0.145973 0.462838 0.276428 O\n0.699683 0.163131 0.848256 O\n0.854025 0.537163 0.723570 O\n",
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{
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